8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C19H24N4O3 — CID 118745470

IUPAC8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCn1cc(CN2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)cn1
InChIInChI=1S/C19H24N4O3/c1-21-10-16(9-20-21)11-22-7-8-25-15-19(13-22)14-23(18(24)12-26-19)17-5-3-2-4-6-17/h2-6,9-10H,7-8,11-15H2,1H3
InChIKeyUTXQXDALPPOHIQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.05
Rot. Bonds3

About 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118745470) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118745470
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCn1cc(CN2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)cn1
InChIInChI=1S/C19H24N4O3/c1-21-10-16(9-20-21)11-22-7-8-25-15-19(13-22)14-23(18(24)12-26-19)17-5-3-2-4-6-17/h2-6,9-10H,7-8,11-15H2,1H3
InChIKeyUTXQXDALPPOHIQ-UHFFFAOYSA-N
XLogP1.05
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118745470) is 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is Cn1cc(CN2CCOCC3(C2)CN(c2ccccc2)C(=O)CO3)cn1.
What is the InChIKey of 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is UTXQXDALPPOHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-10-16(9-20-21)11-22-7-8-25-15-19(13-22)14-23(18(24)12-26-19)17-5-3-2-4-6-17/h2-6,9-10H,7-8,11-15H2,1H3.
What are the key properties of 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118745470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).